| CAS Number | 23984-82-9 |
| Catalog Number | AG00C1AM(AGN-PC-03M6NG) |
| Chemical Name | 2-Methyl-4-(trifluoromethyl)benzoic acid |
| IUPAC Name | 2-methyl-4-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C9H7F3O2/c1-5-4-6(9(10,11)12)2-3-7(5)8(13)14/h2-4H,1H3,(H,13,14) |
| InChI Key | VGRSPVWAKZZUFU-UHFFFAOYSA-N |
| MDL Number | MFCD13185720 |
| Molecular Formula | C9H7F3O2 |
| Molecular Weight | 204.1459 |
| SMILES | CC1=C(C(=O)O)C=CC(=C1)C(F)(F)F |
| Synonyms | 2-METHYL-4-(TRIFLUOROMETHYL)BENZOIC ACID,
23984-82-9,
SCHEMBL424990,
DTXSID40623419,
VGRSPVWAKZZUFU-UHFFFAOYSA-N,
BBL104055,
MFCD13185720,
STL557869,
ZINC66322935,
AKOS026672071,
2-Methyl-4-trifluoromethylbenzoic acid,
2-methyl-4-trifluoromethyl benzoic acid,
2-Methyl-4-trifluoromethyl-benzoic acid,
AS-43931,
Benzoicacid,2-methyl-4-(trifluoromethyl)-,
Benzoic acid, 2-methyl-4-(trifluoromethyl)-,
Z2235810190,
C-2465,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.148g/mol |
| Monoisotopic Mass | 204.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number